ethyl 1-[[1-(2-methyl-4-nitro-phenyl)indol-2-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[1-(2-methyl-4-nitro-phenyl)indol-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[1-(2-methyl-4-nitro-phenyl)indol-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[1-(2-methyl-4-nitrophenyl)-2-indolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[1-(2-methyl-4-nitrophenyl)indol-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[1-(2-methyl-4-nitro-phenyl)indol-2-yl]methyl]isonipecotic acid ethyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC3=CC=CC=C3N2C4=C(C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC3=CC=CC=C3N2C4=C(C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H27N3O4/c1-3-31-24(28)18-10-12-25(13-11-18)16-21-15-19-6-4-5-7-23(19)26(21)22-9-8-20(27(29)30)14-17(22)2/h4-9,14-15,18H,3,10-13,16H2,1-2H3